SCHEMBL31666090

SCHEMBL31666090

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 9/20 0.66
GCGR P47871 1/20 0.66
GIPR P48546 1/20 0.66
IL23R Q5VWK5 1/20 0.65
CCKBR P32239 5/20 0.64
PTH1R Q03431 2/20 0.62
ECE1 P42892 1/20 0.62
MUS81 Q96NY9 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
NR3C1 P04150 2/20 0.61
NPBWR1 P48145 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31666089 0.99 GLP1R (0.66) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL31666088 0.99 GLP1R (0.66) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL31666086 0.97 IL23R (0.66) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL31666087 0.97 IL23R (0.65) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL31666085 0.94 GLP1R (0.64) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL31666092 0.91 GLP1R (0.61) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL31666091 0.91 GLP1R (0.61) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL30495589 0.91 IL23R (0.67) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL31182580 0.90 GLP1R (0.75) GLP1RGCGRGIPRIL23RCCKBR
SCHEMBL29791120 0.89 GLP1R (0.69) GLP1RGCGRGIPRIL23RCCKBR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371691-B2 Nano complex for targeted repairing of neurovascular lesion, and preparation and use thereof SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2025-07-29 US claimed
US-12371691-B2 Nano complex for targeted repairing of neurovascular lesion, and preparation and use thereof SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2025-07-29 US disclosed